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Methyl 3-hydroxy-2-hexyl-5-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID 3aPLrjCljYw
InChI InChI=1S/C21H23F3O3/c1-3-4-5-9-12-15-16(14-10-7-6-8-11-14)13-17(21(22,23)24)18(19(15)25)20(26)27-2/h6-8,10-11,13,25H,3-5,9,12H2,1-2H3
InChIKey FROPVGLIOCZGDL-UHFFFAOYSA-N
Mol Weight 380.41 g/mol
Molecular Formula C21H23F3O3
Exact Mass 380.159929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MbxgIyXJj0
Name Methyl 3-hydroxy-2-hexyl-5-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F3O3
InChI InChI=1S/C21H23F3O3/c1-3-4-5-9-12-15-16(14-10-7-6-8-11-14)13-17(21(22,23)24)18(19(15)25)20(26)27-2/h6-8,10-11,13,25H,3-5,9,12H2,1-2H3
InChIKey FROPVGLIOCZGDL-UHFFFAOYSA-N
Molecular Weight 380.407 g/mol
SMILES Oc1c(c(C(F)(F)F)cc(c1CCCCCC)-c1ccccc1)C(=O)OC
SPLASH splash10-002b-0159000000-815865098986a3b16545
Source of Spectrum F-65-2128-5d
Wiley ID 1681734